N,3-dimethyl-2-[(1-methylpyrrol-3-yl)methylamino]butanamide

C12H21N3O — CID 115868089

IUPACN,3-dimethyl-2-[(1-methylpyrrol-3-yl)methylamino]butanamide
SMILESCNC(=O)C(NCc1ccn(C)c1)C(C)C
InChIInChI=1S/C12H21N3O/c1-9(2)11(12(16)13-3)14-7-10-5-6-15(4)8-10/h5-6,8-9,11,14H,7H2,1-4H3,(H,13,16)
InChIKeyOLBKHQHFKPDCPZ-UHFFFAOYSA-N
MW223.32 g/mol
LogP0.89
Rot. Bonds5

About N,3-dimethyl-2-[(1-methylpyrrol-3-yl)methylamino]butanamide

N,3-dimethyl-2-[(1-methylpyrrol-3-yl)methylamino]butanamide (PubChem CID 115868089) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is N,3-dimethyl-2-[(1-methylpyrrol-3-yl)methylamino]butanamide.

Molecular Properties

Compound NameN,3-dimethyl-2-[(1-methylpyrrol-3-yl)methylamino]butanamide
PubChem CID115868089
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC NameN,3-dimethyl-2-[(1-methylpyrrol-3-yl)methylamino]butanamide
SMILESCNC(=O)C(NCc1ccn(C)c1)C(C)C
InChIInChI=1S/C12H21N3O/c1-9(2)11(12(16)13-3)14-7-10-5-6-15(4)8-10/h5-6,8-9,11,14H,7H2,1-4H3,(H,13,16)
InChIKeyOLBKHQHFKPDCPZ-UHFFFAOYSA-N
XLogP0.89
TPSA46.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-methyl-2-[(1-methylpyrrol-3-yl)methylamino]propanamide
CID 103872075
methyl (2S)-3-methyl-2-[(1-methylpyrrol-3-yl)methylamino]butanoate
CID 66399382
2-[(1-methylpyrrol-3-yl)methylamino]-N-propylpropanamide
CID 66397673
(2S)-2-[(1-methylpyrrol-3-yl)methylamino]propanamide
CID 103992330
N,3-dimethyl-2-[(1-methylpyrrol-2-yl)methylamino]butanamide
CID 115747414
(2R)-2-amino-3,3-dimethyl-N-[(1-methylpyrrol-3-yl)methyl]butanamide
CID 106390787
N-[(1-methylpyrrol-3-yl)methyl]pentan-3-amine
CID 66399758
[4-[1-[(1-methylpyrrol-3-yl)methylamino]ethyl]phenyl]urea
CID 66398981
1-ethylsulfonyl-N-[(1-methylpyrrol-3-yl)methyl]propan-2-amine
CID 115867956
4-amino-N-[(1-methylpyrrol-3-yl)methyl]pentanamide
CID 106813362
2-[(1-methylpyrrol-3-yl)methylamino]-2-phenylacetic acid
CID 66398999
N-[(1-methylpyrrol-3-yl)methyl]-4-(propan-2-ylamino)butanamide
CID 114182663

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-2-[(1-methylpyrrol-3-yl)methylamino]butanamide?
The IUPAC name of N,3-dimethyl-2-[(1-methylpyrrol-3-yl)methylamino]butanamide (CID 115868089) is N,3-dimethyl-2-[(1-methylpyrrol-3-yl)methylamino]butanamide.
What is the SMILES notation for N,3-dimethyl-2-[(1-methylpyrrol-3-yl)methylamino]butanamide?
The canonical SMILES for N,3-dimethyl-2-[(1-methylpyrrol-3-yl)methylamino]butanamide is CNC(=O)C(NCc1ccn(C)c1)C(C)C.
What is the InChIKey of N,3-dimethyl-2-[(1-methylpyrrol-3-yl)methylamino]butanamide?
The InChIKey is OLBKHQHFKPDCPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-9(2)11(12(16)13-3)14-7-10-5-6-15(4)8-10/h5-6,8-9,11,14H,7H2,1-4H3,(H,13,16).
What are the key properties of N,3-dimethyl-2-[(1-methylpyrrol-3-yl)methylamino]butanamide?
N,3-dimethyl-2-[(1-methylpyrrol-3-yl)methylamino]butanamide has a molecular weight of 223.32 g/mol, XLogP of 0.89, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-2-[(1-methylpyrrol-3-yl)methylamino]butanamide is sourced from PubChem (CID 115868089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).